SCHEMBL8212903

SCHEMBL8212903

COC(=O)c1ccc(C(=O)Nc2sc(C(C)C)cc2C(=O)NCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 6/20 0.47
SCD O00767 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 4/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 6/20 0.45
MAPT P10636 4/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
BCL2 P10415 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7886983 0.90 NR1H4 (0.51) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL8210714 0.87 KDM4E (0.51) MEN1KMT2ASMN1; SMN2KDM4ESCD
SCHEMBL8206330 0.86 MEN1 (0.50) MEN1KMT2ASMN1; SMN2KDM4ESCD
SCHEMBL8206984 0.85 ALDH1A1 (0.54) MEN1KMT2ASMN1; SMN2KDM4ESCD
SCHEMBL8198891 0.83 TDP1 (0.53) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4749069 0.77 KMT2A (0.74) MEN1KMT2ASMN1; SMN2KDM4ECA1
SCHEMBL7888371 0.77 MAPK1 (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL8207400 0.77 CNR2 (0.49) MEN1KMT2ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL8207961 0.77 MGLL (0.53) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL8198895 0.77 SMN1; SMN2 (0.38) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143777-A ENZYME INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-07 US disclosed